- InChI
- InChI=1S/C11H18O/c1-9(2)6-5-7-10(3)8-11(4)12/h6,8H,5,7H2,1-4H3/b10-8-
- InChI Key
- QAFYGHBGWCPRCI-NTMALXAHSA-N
- Formula
- C11H18O
- SMILES
- CC(=O)C=C(C)CCC=C(C)C
- Molecular Weight1
- 166.26
- CAS
- 817-88-9
- Other Names
-
- 4,8-Dimethyl-3,7-nonadien-2-one
- 4,8-Dimethylnona-3,7-dien-2-one
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4298 | Relay (... Calculated Property | |
| ΔfG° | 56.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -232.11 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.27 | kJ/mol | Relay (... Calculated Property |
| IE | 8.60 | eV | Relay (... Calculated Property |
| log10WS | -2.85 | Relay (... Calculated Property | |
| logPoct/wat | 3.268 | Crippen Calculated Property | |
| McVol | 158.820 | ml/mol | McGowan Calculated Property |
| Pc | 2274.07 | kPa | Joback Calculated Property |
| Inp | [1240.80; 1240.80] |
|
|
| Inp | 1240.80 | NIST | |
| Inp | 1240.80 | NIST | |
| Tboil | 499.21 | K | Relay (... Calculated Property |
| Tc | 682.26 | K | Relay (... Calculated Property |
| Tfus | 240.13 | K | Relay (... Calculated Property |
| Vc | 0.571 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.26; 432.17] | J/mol×K | [513.03; 706.51] |
|
| Cp,gas | 353.26 | J/mol×K | 513.03 | Joback Calculated Property |
| Cp,gas | 368.28 | J/mol×K | 545.28 | Joback Calculated Property |
| Cp,gas | 382.49 | J/mol×K | 577.52 | Joback Calculated Property |
| Cp,gas | 395.95 | J/mol×K | 609.77 | Joback Calculated Property |
| Cp,gas | 408.69 | J/mol×K | 642.02 | Joback Calculated Property |
| Cp,gas | 420.75 | J/mol×K | 674.26 | Joback Calculated Property |
| Cp,gas | 432.17 | J/mol×K | 706.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,7-Nonadien-2-one, 4,8-dimethyl-.
Sources
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